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(1S,3S,9aR)-3-Benzyloxycarbonylamino-1-hydroxy-1-phenylperhydroquinolizin-4-one
SpectraBase Compound ID HdYZXURzTGw
InChI InChI=1S/C23H26N2O4/c26-21-19(24-22(27)29-16-17-9-3-1-4-10-17)15-23(28,18-11-5-2-6-12-18)20-13-7-8-14-25(20)21/h1-6,9-12,19-20,28H,7-8,13-16H2,(H,24,27)/t19-,20+,23-/m0/s1
InChIKey HDUXKMKBXUCKKZ-MZKRTTBSSA-N
Mol Weight 394.47 g/mol
Molecular Formula C23H26N2O4
Exact Mass 394.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 550zwD7XMCa
Name (1S,3S,9aR)-3-Benzyloxycarbonylamino-1-hydroxy-1-phenylperhydroquinolizin-4-one
Alternate Name(s) benzyl (1S,3S,9aR)-1-hydroxy-4-oxo-1-phenyloctahydro-2H-quinolizin-3-ylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O4
InChI InChI=1S/C23H26N2O4/c26-21-19(24-22(27)29-16-17-9-3-1-4-10-17)15-23(28,18-11-5-2-6-12-18)20-13-7-8-14-25(20)21/h1-6,9-12,19-20,28H,7-8,13-16H2,(H,24,27)/t19-,20+,23-/m0/s1
InChIKey HDUXKMKBXUCKKZ-MZKRTTBSSA-N
Molecular Weight 394.471 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]1(C(N2[C@@]([C@](C1)(c1ccccc1)O)(CCCC2)[H])=O)[H]
SPLASH splash10-001l-9100000000-8e2aebd627b50eeeaebe
Source of Spectrum QC-9-4471-9
Wiley ID 870938